1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide

C27H32N4O2 — CID 53070485

IUPAC1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCCc1ccc(-n2nc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ccc2=O)cc1
InChIInChI=1S/C27H32N4O2/c1-2-21-10-12-24(13-11-21)31-26(32)15-14-25(29-31)30-19-16-23(17-20-30)27(33)28-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-15,23H,2,6,9,16-20H2,1H3,(H,28,33)
InChIKeyPAQUZBZJCAMGGI-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.76
Rot. Bonds8

About 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide

1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 53070485) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID53070485
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCCc1ccc(-n2nc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ccc2=O)cc1
InChIInChI=1S/C27H32N4O2/c1-2-21-10-12-24(13-11-21)31-26(32)15-14-25(29-31)30-19-16-23(17-20-30)27(33)28-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-15,23H,2,6,9,16-20H2,1H3,(H,28,33)
InChIKeyPAQUZBZJCAMGGI-UHFFFAOYSA-N
XLogP3.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070467
N-benzyl-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53006530
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53070496
(3S)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 95069446
N-[(2,4-dimethoxyphenyl)methyl]-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070510
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292
N-(3-ethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070565
N-(2-methoxyethyl)-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070434
N-(3-phenylpropyl)-1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 52898495
4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)-N-(2-phenylethyl)benzamide
CID 50832290
1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 53070807
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070501

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 53070485) is 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide is CCc1ccc(-n2nc(N3CCC(C(=O)NCCCc4ccccc4)CC3)ccc2=O)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is PAQUZBZJCAMGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-2-21-10-12-24(13-11-21)31-26(32)15-14-25(29-31)30-19-16-23(17-20-30)27(33)28-18-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-15,23H,2,6,9,16-20H2,1H3,(H,28,33).
What are the key properties of 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53070485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).